83 citations · 178 across the 7 of their papers we have counts for
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physics.chem-ph2021★ 28 cited
A Deep Autoencoder Framework for Discovery of Metastable Ensembles in Biomacromolecules
Satyabrata Bandyopadhyay, Jagannath Mondal
Mini-proteins and peptides manifest dynamic conformational fluctuation and involve mutual interconversion among metastable states. A robust mapping of the conformational landscape…
physics.chem-ph2019★ 11 cited
On the Role of Solvent in Hydrophobic Cavity-ligand Recognition Kinetics
Navjeet Ahalawat, Satyabrata Bandyopadhyay, Jagannath Mondal
Solvent often manifests itself as the key determinant of the kinetic aspect of molecular recognition process. While the solvent is often depicted as a source of barrier in the liga…